N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-2-methoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C40H59IN2O3 MolecularWeight: 742.81253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3OC.[I-]

InChI

InChI=1S/C40H59N2O3.HI/c1-7-8-9-10-11-12-13-14-15-16-17-20-29-45-38-34(24-21-26-36(38)40(2,3)4)32-42(31-33-23-22-28-41(5)30-33)39(43)35-25-18-19-27-37(35)44-6;/h18-19,21-28,30H,7-17,20,29,31-32H2,1-6H3;1H/q+1;/p-1